5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine

C13H16ClFN2 — CID 79727186

IUPAC5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CC1CC1)CC1CC1
InChIInChI=1S/C13H16ClFN2/c14-11-5-12(15)13(16-6-11)17(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2
InChIKeyLLPCHWJEMWRQDD-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine

5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine (PubChem CID 79727186) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine
PubChem CID79727186
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CC1CC1)CC1CC1
InChIInChI=1S/C13H16ClFN2/c14-11-5-12(15)13(16-6-11)17(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2
InChIKeyLLPCHWJEMWRQDD-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
CID 79727699
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
CID 106644246
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
CID 79734463
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
5-chloro-4-N,4-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 80835241
5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 79727979
2-[(5-chloro-3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
CID 115681797
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
N'-(5-chloro-3-fluoro-2-pyridinyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79727656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine (CID 79727186) is 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1N(CC1CC1)CC1CC1.
What is the InChIKey of 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine?
The InChIKey is LLPCHWJEMWRQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2/c14-11-5-12(15)13(16-6-11)17(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine?
5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine has a molecular weight of 254.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).